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2,5,8,11-Tetra-tert-butylperylene

Catalog Number
ACM80663929-2
Product Name
2,5,8,11-Tetra-tert-butylperylene
Structure
CAS
80663-92-9
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
TBP
IUPAC Name
2,5,8,11-tetratert-butylperylene
Molecular Weight
476.75
Molecular Formula
C36H44
Canonical SMILES
CC(C)(C)C1=CC2=C3C(=C1)C=C(C=C3C4=CC(=CC5=CC(=CC2=C54)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C36H44/c1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29/h13-20H,1-12H3
InChI Key
BFTIPCRZWILUIY-UHFFFAOYSA-N
Melting Point
312 °C
Purity
>97.0%(HPLC)
Appearance
Light yellow to Yellow to Green powder to crystal
Complexity
658
Covalently-Bonded Unit Count
1
Exact Mass
476.344301g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
36
MDL Number
MFCD09835379
Monoisotopic Mass
476.344301g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
4
Signal Word
Warning
XLogP3
12.4
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